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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Mar-2023	/GROUP_B/Triplet 18-1,3-Phenyl_Dianion	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-230.6118992; Eh
	26-Mar-2023	/GROUP_B/Triplet 19-1,4-Diphosphorin	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-837.2852678; Eh
	26-Mar-2023	/GROUP_B/Triplet 9H+-Pyrazine_H+	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-264.4853656; Eh
	26-Mar-2023	/GROUP_B/Singlet 9H+-Pyrazine_H+	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-264.5947576; Eh
	26-Mar-2023	/GROUP_B/Singlet 17-1,4-Phenyl_Dianion	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-230.7192751; Eh
	26-Mar-2023	/GROUP_B/Singlet 18-1,3-Phenyl_Dianion	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-230.7128892; Eh
	26-Mar-2023	/GROUP_B/Singlet 19-1,4-Diphosphorin	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP	6-311+G(D,P)	-837.4772594; Eh
	26-Apr-2023	minRR_correct	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	DEF2SVP	-4199.9940767; Eh
	10-May-2023	pyr-C6F5Cl	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RMP2-Full	AUG-CC-PVDZ GEN	-1430.63928960; Eh
	2-Aug-2023	tBuPh_C5_OH_MeOH_C60	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	VSTO-6G	-

Results 991-1000 of 1043 (Search time: 0.002 seconds).